1-[[2-(7-thiophen-2-ylhepta-1,6-diynyl)phenyl]methyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[[2-(7-thiophen-2-ylhepta-1,6-diynyl)phenyl]methyl]cyclohexane-1-carbonitrile Openeye Name: 1-[[2-[7-(2-thienyl)hepta-1,6-diynyl]phenyl]methyl]cyclohexanecarbonitrile CAS Name: 1-[[2-(7-thiophen-2-ylhepta-1,6-diynyl)phenyl]methyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[[2-(7-thiophen-2-ylhepta-1,6-diynyl)phenyl]methyl]cyclohexane-1-carbonitrile Traditional Name: 1-[2-[7-(2-thienyl)hepta-1,6-diynyl]benzyl]cyclohexanecarbonitrile Formula: C25H25NS MolecularWeight: 371.5377

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=CC=CC=C2C#CCCCC#CC3=CC=CS3)C#N

Isomeric SMILES

C1CCC(CC1)(CC2=CC=CC=C2C#CCCCC#CC3=CC=CS3)C#N

InChI

InChI=1S/C25H25NS/c26-21-25(17-9-4-10-18-25)20-23-14-8-7-13-22(23)12-5-2-1-3-6-15-24-16-11-19-27-24/h7-8,11,13-14,16,19H,1-4,9-10,17-18,20H2